ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoate hydrochloride

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoate hydrochloride Openeye Name: ethyl 2-(N-[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetate hydrochloride CAS Name: 2-(N-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-(N-[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)acetate hydrochloride Traditional Name: 2-(N-[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetic acid ethyl ester hydrochloride Formula: C27H28ClN5O4 MolecularWeight: 521.99532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C27H27N5O4.ClH/c1-3-35-25(33)16-32(20-7-5-4-6-8-20)27(34)19-11-14-23-22(15-19)30-24(31(23)2)17-36-21-12-9-18(10-13-21)26(28)29;/h4-15H,3,16-17H2,1-2H3,(H3,28,29);1H